Structure Database (LMSD)

Common Name
Trigraecum
Systematic Name
7-Hydroxy-6-methoxyflavone
Synonyms
LM ID
LMPK12110062
Formula
C16H12O4
Exact Mass
Calculate m/z
268.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
BJBKXYIIWYIZCX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-19-16-7-11-12(17)8-14(10-5-3-2-4-6-10)20-15(11)9-13(16)18/h2-9,18H,1H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C=C(O)C(OC)=C2

Other Databases

HMDB ID
HMDB0030720
CHEBI ID
174529
METABOLOMICS ID
FL3F29NS0002
PubChem CID
14376438

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 229.62
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 76.24

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Updated at
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